CID 155819969

6-bromo-n-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine

Structural Information

Molecular Formula
C12H16BrNO
SMILES
CC(C)CNC1COC2=C1C=CC(=C2)Br
InChI
InChI=1S/C12H16BrNO/c1-8(2)6-14-11-7-15-12-5-9(13)3-4-10(11)12/h3-5,8,11,14H,6-7H2,1-2H3
InChIKey
MDTOFMHNYAVKAT-UHFFFAOYSA-N
Compound name
6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04153 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.048806 159.0
[M+Na]+ 292.030748 169.2
[M-H]- 268.034254 166.4
[M+NH4]+ 287.075353 180.5
[M+K]+ 308.004688 159.0
[M+H-H2O]+ 252.038790 158.8
[M+HCOO]- 314.039731 178.4
[M+CH3COO]- 328.055381 197.5
[M+Na-2H]- 290.016196 164.2
[M]+ 269.04098142 177.8
[M]- 269.04207858 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.